2-[2-(4-butylphenyl)ethynyl]-5-hexoxy-pyrimidine

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-5-hexoxy-pyrimidine Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-5-hexoxy-pyrimidine CAS Name: 2-[2-(4-butylphenyl)ethynyl]-5-hexoxypyrimidine IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-5-hexoxypyrimidine Traditional Name: 2-[2-(4-butylphenyl)ethynyl]-5-hexoxy-pyrimidine Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCC

InChI

InChI=1S/C22H28N2O/c1-3-5-7-8-16-25-21-17-23-22(24-18-21)15-14-20-12-10-19(11-13-20)9-6-4-2/h10-13,17-18H,3-9,16H2,1-2H3